USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 379 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 TYR OH : rot 100:sc= -0.716 USER MOD Set 1.2: A 24 LYS NZ :NH3+ -154:sc= -0.0338 (180deg=-0.36) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 164:sc= -0.0311 (180deg=-0.379) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.676 X(o=-0.68,f=-0.79) USER MOD Single : A 20 SER OG : rot -170:sc= -0.315 USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= -0.0222 (180deg=-0.235) USER MOD Single : A 25 ASN : amide:sc= 0.0912 X(o=0.091,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0314 USER MOD Single : A 31 ASN : amide:sc= -3.7 K(o=-3.7,f=-6!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -164:sc= -0.0439 (180deg=-0.419) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 30:sc= -0.918 USER MOD Single : A 43 SER OG : rot -67:sc= -0.503 USER MOD Single : A 47 THR OG1 : rot 116:sc= 0.942 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.057 12.629 7.517 1.00 0.00 N ATOM 2 CA MET A 1 -7.831 12.631 6.673 1.00 0.00 C ATOM 3 C MET A 1 -8.137 13.235 5.296 1.00 0.00 C ATOM 4 O MET A 1 -9.030 12.785 4.603 1.00 0.00 O ATOM 5 CB MET A 1 -7.307 11.180 6.491 1.00 0.00 C ATOM 6 CG MET A 1 -5.830 11.105 6.910 1.00 0.00 C ATOM 7 SD MET A 1 -4.671 12.179 6.028 1.00 0.00 S ATOM 8 CE MET A 1 -4.451 11.165 4.544 1.00 0.00 C ATOM 0 H1 MET A 1 -8.838 12.218 8.447 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.395 13.605 7.641 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.796 12.063 7.054 1.00 0.00 H new ATOM 0 HA MET A 1 -7.070 13.232 7.170 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.901 10.491 7.092 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.416 10.872 5.451 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.767 11.339 7.973 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.496 10.075 6.790 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.760 11.662 3.863 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.047 10.192 4.825 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.413 11.030 4.050 1.00 0.00 H new ATOM 20 N LYS A 2 -7.378 14.245 4.951 1.00 0.00 N ATOM 21 CA LYS A 2 -7.535 14.948 3.649 1.00 0.00 C ATOM 22 C LYS A 2 -7.274 14.000 2.464 1.00 0.00 C ATOM 23 O LYS A 2 -6.654 12.966 2.626 1.00 0.00 O ATOM 24 CB LYS A 2 -6.540 16.125 3.663 1.00 0.00 C ATOM 25 CG LYS A 2 -6.695 17.033 2.435 1.00 0.00 C ATOM 26 CD LYS A 2 -8.119 17.622 2.418 1.00 0.00 C ATOM 27 CE LYS A 2 -8.231 18.609 1.277 1.00 0.00 C ATOM 28 NZ LYS A 2 -8.023 17.924 -0.031 1.00 0.00 N ATOM 0 H LYS A 2 -6.634 14.620 5.540 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.556 15.308 3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.689 16.713 4.568 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -5.522 15.737 3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -5.957 17.835 2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.512 16.465 1.523 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -8.854 16.826 2.300 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -8.333 18.116 3.366 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -9.213 19.083 1.294 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -7.493 19.401 1.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -8.364 18.535 -0.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -7.010 17.731 -0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -8.550 17.028 -0.041 1.00 0.00 H new ATOM 42 N ALA A 3 -7.766 14.397 1.315 1.00 0.00 N ATOM 43 CA ALA A 3 -7.610 13.611 0.056 1.00 0.00 C ATOM 44 C ALA A 3 -6.181 13.072 -0.119 1.00 0.00 C ATOM 45 O ALA A 3 -5.222 13.782 0.123 1.00 0.00 O ATOM 46 CB ALA A 3 -7.975 14.514 -1.128 1.00 0.00 C ATOM 0 H ALA A 3 -8.288 15.266 1.198 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.273 12.747 0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.867 13.956 -2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.007 14.850 -1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.311 15.379 -1.144 1.00 0.00 H new ATOM 52 N CYS A 4 -6.085 11.834 -0.534 1.00 0.00 N ATOM 53 CA CYS A 4 -4.756 11.193 -0.742 1.00 0.00 C ATOM 54 C CYS A 4 -3.940 11.884 -1.841 1.00 0.00 C ATOM 55 O CYS A 4 -4.478 12.562 -2.696 1.00 0.00 O ATOM 56 CB CYS A 4 -4.968 9.740 -1.125 1.00 0.00 C ATOM 57 SG CYS A 4 -6.051 8.719 -0.099 1.00 0.00 S ATOM 0 H CYS A 4 -6.884 11.234 -0.740 1.00 0.00 H new ATOM 0 HA CYS A 4 -4.196 11.279 0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.361 9.720 -2.141 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -3.990 9.260 -1.152 1.00 0.00 H new ATOM 62 N THR A 5 -2.653 11.671 -1.766 1.00 0.00 N ATOM 63 CA THR A 5 -1.694 12.253 -2.739 1.00 0.00 C ATOM 64 C THR A 5 -1.580 11.269 -3.925 1.00 0.00 C ATOM 65 O THR A 5 -2.441 10.431 -4.114 1.00 0.00 O ATOM 66 CB THR A 5 -0.347 12.432 -1.998 1.00 0.00 C ATOM 67 OG1 THR A 5 -0.682 12.888 -0.691 1.00 0.00 O ATOM 68 CG2 THR A 5 0.407 13.632 -2.543 1.00 0.00 C ATOM 0 H THR A 5 -2.217 11.097 -1.044 1.00 0.00 H new ATOM 0 HA THR A 5 -2.010 13.221 -3.128 1.00 0.00 H new ATOM 0 HB THR A 5 0.221 11.505 -2.073 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.138 13.019 -0.170 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.351 13.741 -2.010 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.605 13.486 -3.605 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.193 14.532 -2.406 1.00 0.00 H new ATOM 76 N LEU A 6 -0.522 11.402 -4.682 1.00 0.00 N ATOM 77 CA LEU A 6 -0.276 10.518 -5.867 1.00 0.00 C ATOM 78 C LEU A 6 1.165 9.983 -5.821 1.00 0.00 C ATOM 79 O LEU A 6 1.624 9.363 -6.761 1.00 0.00 O ATOM 80 CB LEU A 6 -0.494 11.338 -7.162 1.00 0.00 C ATOM 81 CG LEU A 6 -1.952 11.880 -7.259 1.00 0.00 C ATOM 82 CD1 LEU A 6 -2.056 12.802 -8.494 1.00 0.00 C ATOM 83 CD2 LEU A 6 -2.956 10.714 -7.439 1.00 0.00 C ATOM 0 H LEU A 6 0.202 12.104 -4.526 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.967 9.675 -5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.207 12.172 -7.188 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.279 10.714 -8.029 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.188 12.421 -6.343 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.072 13.189 -8.575 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.359 13.633 -8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.811 12.236 -9.393 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.968 11.112 -7.505 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.721 10.169 -8.353 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.886 10.039 -6.586 1.00 0.00 H new ATOM 95 N ASN A 7 1.833 10.242 -4.722 1.00 0.00 N ATOM 96 CA ASN A 7 3.234 9.797 -4.518 1.00 0.00 C ATOM 97 C ASN A 7 3.392 8.269 -4.590 1.00 0.00 C ATOM 98 O ASN A 7 2.449 7.543 -4.839 1.00 0.00 O ATOM 99 CB ASN A 7 3.723 10.310 -3.137 1.00 0.00 C ATOM 100 CG ASN A 7 3.516 11.828 -2.992 1.00 0.00 C ATOM 101 OD1 ASN A 7 3.380 12.334 -1.896 1.00 0.00 O ATOM 102 ND2 ASN A 7 3.484 12.590 -4.052 1.00 0.00 N ATOM 0 H ASN A 7 1.444 10.762 -3.936 1.00 0.00 H new ATOM 0 HA ASN A 7 3.836 10.213 -5.326 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.185 9.791 -2.344 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.780 10.073 -3.013 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.346 13.596 -3.953 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.597 12.179 -4.979 1.00 0.00 H new ATOM 109 N CYS A 8 4.605 7.839 -4.360 1.00 0.00 N ATOM 110 CA CYS A 8 4.945 6.379 -4.389 1.00 0.00 C ATOM 111 C CYS A 8 5.241 6.099 -2.898 1.00 0.00 C ATOM 112 O CYS A 8 5.642 6.986 -2.168 1.00 0.00 O ATOM 113 CB CYS A 8 6.206 6.167 -5.179 1.00 0.00 C ATOM 114 SG CYS A 8 6.178 5.920 -6.975 1.00 0.00 S ATOM 0 H CYS A 8 5.394 8.450 -4.148 1.00 0.00 H new ATOM 0 HA CYS A 8 4.171 5.751 -4.831 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.846 7.029 -4.989 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.705 5.299 -4.749 1.00 0.00 H new ATOM 119 N ASP A 9 5.037 4.880 -2.497 1.00 0.00 N ATOM 120 CA ASP A 9 5.287 4.477 -1.075 1.00 0.00 C ATOM 121 C ASP A 9 6.288 3.299 -1.027 1.00 0.00 C ATOM 122 O ASP A 9 5.927 2.188 -1.363 1.00 0.00 O ATOM 123 CB ASP A 9 3.933 4.097 -0.477 1.00 0.00 C ATOM 124 CG ASP A 9 3.928 3.922 1.057 1.00 0.00 C ATOM 125 OD1 ASP A 9 4.975 4.036 1.676 1.00 0.00 O ATOM 126 OD2 ASP A 9 2.830 3.677 1.530 1.00 0.00 O ATOM 0 H ASP A 9 4.702 4.128 -3.099 1.00 0.00 H new ATOM 0 HA ASP A 9 5.731 5.289 -0.499 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.206 4.864 -0.743 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.597 3.167 -0.936 1.00 0.00 H new ATOM 131 N PRO A 10 7.513 3.560 -0.611 1.00 0.00 N ATOM 132 CA PRO A 10 8.648 2.600 -0.771 1.00 0.00 C ATOM 133 C PRO A 10 8.419 1.269 -0.048 1.00 0.00 C ATOM 134 O PRO A 10 8.946 0.251 -0.454 1.00 0.00 O ATOM 135 CB PRO A 10 9.888 3.327 -0.245 1.00 0.00 C ATOM 136 CG PRO A 10 9.398 4.589 0.477 1.00 0.00 C ATOM 137 CD PRO A 10 7.938 4.824 0.068 1.00 0.00 C ATOM 0 HA PRO A 10 8.760 2.318 -1.818 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.450 2.687 0.436 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.558 3.587 -1.064 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.477 4.467 1.557 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.014 5.447 0.207 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.314 5.033 0.937 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.849 5.680 -0.601 1.00 0.00 H new ATOM 145 N ARG A 11 7.637 1.319 0.998 1.00 0.00 N ATOM 146 CA ARG A 11 7.344 0.076 1.779 1.00 0.00 C ATOM 147 C ARG A 11 6.357 -0.796 0.985 1.00 0.00 C ATOM 148 O ARG A 11 6.357 -2.006 1.110 1.00 0.00 O ATOM 149 CB ARG A 11 6.750 0.471 3.152 1.00 0.00 C ATOM 150 CG ARG A 11 5.345 0.994 2.939 1.00 0.00 C ATOM 151 CD ARG A 11 4.759 1.607 4.191 1.00 0.00 C ATOM 152 NE ARG A 11 3.407 2.022 3.747 1.00 0.00 N ATOM 153 CZ ARG A 11 2.535 2.580 4.546 1.00 0.00 C ATOM 154 NH1 ARG A 11 2.828 2.798 5.800 1.00 0.00 N ATOM 155 NH2 ARG A 11 1.375 2.908 4.046 1.00 0.00 N ATOM 0 H ARG A 11 7.188 2.165 1.347 1.00 0.00 H new ATOM 0 HA ARG A 11 8.258 -0.495 1.945 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.736 -0.390 3.820 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.369 1.232 3.627 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.355 1.739 2.144 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.704 0.179 2.603 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.714 0.890 5.010 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.348 2.454 4.541 1.00 0.00 H new ATOM 0 HE ARG A 11 3.145 1.865 2.774 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.743 2.532 6.163 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.142 3.234 6.416 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.174 2.727 3.063 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.669 3.345 4.639 1.00 0.00 H new ATOM 169 N ILE A 12 5.548 -0.136 0.190 1.00 0.00 N ATOM 170 CA ILE A 12 4.540 -0.854 -0.641 1.00 0.00 C ATOM 171 C ILE A 12 5.164 -1.244 -1.977 1.00 0.00 C ATOM 172 O ILE A 12 5.918 -0.494 -2.568 1.00 0.00 O ATOM 173 CB ILE A 12 3.316 0.049 -0.895 1.00 0.00 C ATOM 174 CG1 ILE A 12 2.715 0.374 0.491 1.00 0.00 C ATOM 175 CG2 ILE A 12 2.278 -0.715 -1.784 1.00 0.00 C ATOM 176 CD1 ILE A 12 1.408 1.126 0.364 1.00 0.00 C ATOM 0 H ILE A 12 5.546 0.878 0.083 1.00 0.00 H new ATOM 0 HA ILE A 12 4.218 -1.749 -0.108 1.00 0.00 H new ATOM 0 HB ILE A 12 3.590 0.965 -1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.552 -0.551 1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.424 0.969 1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.413 -0.077 -1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.738 -0.978 -2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.959 -1.623 -1.272 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.013 1.339 1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.577 2.063 -0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.691 0.519 -0.190 1.00 0.00 H new ATOM 188 N ALA A 13 4.806 -2.427 -2.389 1.00 0.00 N ATOM 189 CA ALA A 13 5.300 -2.993 -3.675 1.00 0.00 C ATOM 190 C ALA A 13 4.179 -2.786 -4.680 1.00 0.00 C ATOM 191 O ALA A 13 4.361 -2.161 -5.707 1.00 0.00 O ATOM 192 CB ALA A 13 5.580 -4.478 -3.500 1.00 0.00 C ATOM 0 H ALA A 13 4.175 -3.041 -1.874 1.00 0.00 H new ATOM 0 HA ALA A 13 6.222 -2.514 -4.005 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.942 -4.893 -4.441 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.336 -4.617 -2.727 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.663 -4.989 -3.206 1.00 0.00 H new ATOM 198 N TYR A 14 3.045 -3.334 -4.326 1.00 0.00 N ATOM 199 CA TYR A 14 1.841 -3.228 -5.198 1.00 0.00 C ATOM 200 C TYR A 14 0.603 -3.631 -4.418 1.00 0.00 C ATOM 201 O TYR A 14 0.636 -3.705 -3.206 1.00 0.00 O ATOM 202 CB TYR A 14 2.042 -4.142 -6.413 1.00 0.00 C ATOM 203 CG TYR A 14 2.356 -5.583 -6.007 1.00 0.00 C ATOM 204 CD1 TYR A 14 3.660 -5.959 -5.773 1.00 0.00 C ATOM 205 CD2 TYR A 14 1.354 -6.519 -5.881 1.00 0.00 C ATOM 206 CE1 TYR A 14 3.964 -7.246 -5.421 1.00 0.00 C ATOM 207 CE2 TYR A 14 1.658 -7.813 -5.528 1.00 0.00 C ATOM 208 CZ TYR A 14 2.968 -8.187 -5.295 1.00 0.00 C ATOM 209 OH TYR A 14 3.293 -9.479 -4.940 1.00 0.00 O ATOM 0 H TYR A 14 2.902 -3.855 -3.461 1.00 0.00 H new ATOM 0 HA TYR A 14 1.705 -2.201 -5.536 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.143 -4.128 -7.029 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.855 -3.754 -7.027 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.451 -5.230 -5.868 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.327 -6.236 -6.060 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.992 -7.525 -5.241 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.867 -8.542 -5.432 1.00 0.00 H new ATOM 0 HH TYR A 14 3.121 -9.609 -3.984 1.00 0.00 H new ATOM 219 N GLY A 15 -0.451 -3.875 -5.149 1.00 0.00 N ATOM 220 CA GLY A 15 -1.724 -4.283 -4.505 1.00 0.00 C ATOM 221 C GLY A 15 -2.725 -4.846 -5.504 1.00 0.00 C ATOM 222 O GLY A 15 -2.567 -4.715 -6.703 1.00 0.00 O ATOM 0 H GLY A 15 -0.481 -3.808 -6.166 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.518 -5.032 -3.740 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.164 -3.424 -3.999 1.00 0.00 H new ATOM 226 N VAL A 16 -3.729 -5.466 -4.940 1.00 0.00 N ATOM 227 CA VAL A 16 -4.825 -6.088 -5.751 1.00 0.00 C ATOM 228 C VAL A 16 -6.187 -5.587 -5.265 1.00 0.00 C ATOM 229 O VAL A 16 -6.504 -5.680 -4.095 1.00 0.00 O ATOM 230 CB VAL A 16 -4.737 -7.635 -5.622 1.00 0.00 C ATOM 231 CG1 VAL A 16 -5.658 -8.272 -6.681 1.00 0.00 C ATOM 232 CG2 VAL A 16 -3.298 -8.100 -5.960 1.00 0.00 C ATOM 0 H VAL A 16 -3.840 -5.571 -3.931 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.712 -5.807 -6.798 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.018 -7.924 -4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.606 -9.358 -6.602 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.684 -7.945 -6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.336 -7.965 -7.676 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.235 -9.184 -5.870 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.051 -7.806 -6.980 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.594 -7.637 -5.268 1.00 0.00 H new ATOM 242 N CYS A 17 -6.940 -5.073 -6.206 1.00 0.00 N ATOM 243 CA CYS A 17 -8.305 -4.525 -5.929 1.00 0.00 C ATOM 244 C CYS A 17 -9.385 -5.373 -6.632 1.00 0.00 C ATOM 245 O CYS A 17 -9.064 -6.199 -7.464 1.00 0.00 O ATOM 246 CB CYS A 17 -8.346 -3.080 -6.440 1.00 0.00 C ATOM 247 SG CYS A 17 -7.033 -1.951 -5.916 1.00 0.00 S ATOM 0 H CYS A 17 -6.656 -5.009 -7.184 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.508 -4.554 -4.859 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.343 -3.112 -7.530 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.299 -2.646 -6.137 1.00 0.00 H new ATOM 252 N PRO A 18 -10.636 -5.155 -6.286 1.00 0.00 N ATOM 253 CA PRO A 18 -11.781 -5.525 -7.170 1.00 0.00 C ATOM 254 C PRO A 18 -11.633 -4.804 -8.521 1.00 0.00 C ATOM 255 O PRO A 18 -11.109 -3.707 -8.571 1.00 0.00 O ATOM 256 CB PRO A 18 -13.047 -5.107 -6.416 1.00 0.00 C ATOM 257 CG PRO A 18 -12.610 -4.552 -5.046 1.00 0.00 C ATOM 258 CD PRO A 18 -11.074 -4.538 -4.995 1.00 0.00 C ATOM 0 HA PRO A 18 -11.820 -6.591 -7.392 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.596 -4.351 -6.978 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.716 -5.958 -6.289 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.003 -3.546 -4.902 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.010 -5.169 -4.242 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.692 -3.522 -4.894 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.703 -5.105 -4.141 1.00 0.00 H new ATOM 266 N ARG A 19 -12.098 -5.442 -9.569 1.00 0.00 N ATOM 267 CA ARG A 19 -12.017 -4.854 -10.952 1.00 0.00 C ATOM 268 C ARG A 19 -10.555 -4.499 -11.283 1.00 0.00 C ATOM 269 O ARG A 19 -10.253 -3.495 -11.899 1.00 0.00 O ATOM 270 CB ARG A 19 -12.908 -3.583 -11.024 1.00 0.00 C ATOM 271 CG ARG A 19 -14.290 -3.857 -10.393 1.00 0.00 C ATOM 272 CD ARG A 19 -15.114 -2.574 -10.464 1.00 0.00 C ATOM 273 NE ARG A 19 -16.454 -2.842 -9.856 1.00 0.00 N ATOM 274 CZ ARG A 19 -17.361 -1.902 -9.759 1.00 0.00 C ATOM 275 NH1 ARG A 19 -17.118 -0.695 -10.194 1.00 0.00 N ATOM 276 NH2 ARG A 19 -18.507 -2.210 -9.217 1.00 0.00 N ATOM 0 H ARG A 19 -12.538 -6.361 -9.527 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.373 -5.582 -11.680 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.420 -2.759 -10.503 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.030 -3.275 -12.063 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.796 -4.663 -10.924 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -14.177 -4.179 -9.358 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -14.609 -1.769 -9.930 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -15.225 -2.251 -11.499 1.00 0.00 H new ATOM 0 HE ARG A 19 -16.666 -3.777 -9.509 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -16.215 -0.477 -10.614 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -17.832 0.029 -10.113 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -18.675 -3.159 -8.884 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -19.235 -1.501 -9.126 1.00 0.00 H new ATOM 290 N SER A 20 -9.702 -5.385 -10.841 1.00 0.00 N ATOM 291 CA SER A 20 -8.233 -5.285 -11.018 1.00 0.00 C ATOM 292 C SER A 20 -7.753 -6.718 -10.787 1.00 0.00 C ATOM 293 O SER A 20 -7.822 -7.237 -9.689 1.00 0.00 O ATOM 294 CB SER A 20 -7.606 -4.350 -9.958 1.00 0.00 C ATOM 295 OG SER A 20 -8.222 -3.086 -10.159 1.00 0.00 O ATOM 0 H SER A 20 -9.990 -6.222 -10.335 1.00 0.00 H new ATOM 0 HA SER A 20 -7.957 -4.878 -11.991 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.789 -4.721 -8.949 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.525 -4.285 -10.082 1.00 0.00 H new ATOM 0 HG SER A 20 -7.758 -2.407 -9.625 1.00 0.00 H new ATOM 301 N GLU A 21 -7.284 -7.305 -11.850 1.00 0.00 N ATOM 302 CA GLU A 21 -6.774 -8.701 -11.812 1.00 0.00 C ATOM 303 C GLU A 21 -5.422 -8.748 -11.076 1.00 0.00 C ATOM 304 O GLU A 21 -5.425 -8.544 -9.879 1.00 0.00 O ATOM 305 CB GLU A 21 -6.640 -9.204 -13.272 1.00 0.00 C ATOM 306 CG GLU A 21 -8.027 -9.214 -13.949 1.00 0.00 C ATOM 307 CD GLU A 21 -7.876 -9.716 -15.396 1.00 0.00 C ATOM 308 OE1 GLU A 21 -7.648 -8.868 -16.244 1.00 0.00 O ATOM 309 OE2 GLU A 21 -7.996 -10.918 -15.572 1.00 0.00 O ATOM 0 H GLU A 21 -7.232 -6.863 -12.768 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.463 -9.348 -11.269 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.958 -8.560 -13.827 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.212 -10.206 -13.284 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.711 -9.859 -13.397 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.457 -8.212 -13.941 1.00 0.00 H new ATOM 316 N GLU A 22 -4.325 -9.000 -11.752 1.00 0.00 N ATOM 317 CA GLU A 22 -2.983 -9.057 -11.072 1.00 0.00 C ATOM 318 C GLU A 22 -2.901 -10.199 -10.043 1.00 0.00 C ATOM 319 O GLU A 22 -3.581 -10.175 -9.034 1.00 0.00 O ATOM 320 CB GLU A 22 -2.691 -7.707 -10.341 1.00 0.00 C ATOM 321 CG GLU A 22 -1.228 -7.272 -10.570 1.00 0.00 C ATOM 322 CD GLU A 22 -0.926 -6.024 -9.716 1.00 0.00 C ATOM 323 OE1 GLU A 22 -1.534 -5.007 -10.011 1.00 0.00 O ATOM 324 OE2 GLU A 22 -0.107 -6.148 -8.818 1.00 0.00 O ATOM 0 H GLU A 22 -4.299 -9.171 -12.757 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.242 -9.239 -11.851 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.367 -6.935 -10.707 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.881 -7.817 -9.273 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.550 -8.082 -10.302 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.063 -7.053 -11.625 1.00 0.00 H new ATOM 331 N LYS A 23 -2.070 -11.172 -10.324 1.00 0.00 N ATOM 332 CA LYS A 23 -1.914 -12.324 -9.388 1.00 0.00 C ATOM 333 C LYS A 23 -1.272 -11.766 -8.104 1.00 0.00 C ATOM 334 O LYS A 23 -1.972 -11.450 -7.161 1.00 0.00 O ATOM 335 CB LYS A 23 -1.006 -13.395 -10.062 1.00 0.00 C ATOM 336 CG LYS A 23 -1.853 -14.459 -10.814 1.00 0.00 C ATOM 337 CD LYS A 23 -2.749 -15.307 -9.860 1.00 0.00 C ATOM 338 CE LYS A 23 -1.906 -16.052 -8.802 1.00 0.00 C ATOM 339 NZ LYS A 23 -0.894 -16.924 -9.464 1.00 0.00 N ATOM 0 H LYS A 23 -1.492 -11.217 -11.164 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.865 -12.798 -9.148 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.324 -12.910 -10.760 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.393 -13.884 -9.305 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.484 -13.960 -11.549 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.187 -15.123 -11.365 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.468 -14.657 -9.361 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.322 -16.028 -10.443 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.407 -15.332 -8.153 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.556 -16.655 -8.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.476 -17.566 -8.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.353 -17.482 -10.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.147 -16.333 -9.881 1.00 0.00 H new ATOM 353 N LYS A 24 0.035 -11.661 -8.119 1.00 0.00 N ATOM 354 CA LYS A 24 0.807 -11.132 -6.954 1.00 0.00 C ATOM 355 C LYS A 24 2.279 -11.189 -7.416 1.00 0.00 C ATOM 356 O LYS A 24 3.112 -11.861 -6.838 1.00 0.00 O ATOM 357 CB LYS A 24 0.535 -12.046 -5.699 1.00 0.00 C ATOM 358 CG LYS A 24 1.365 -11.599 -4.473 1.00 0.00 C ATOM 359 CD LYS A 24 1.004 -12.459 -3.246 1.00 0.00 C ATOM 360 CE LYS A 24 1.756 -11.929 -2.007 1.00 0.00 C ATOM 361 NZ LYS A 24 3.229 -11.966 -2.231 1.00 0.00 N ATOM 0 H LYS A 24 0.614 -11.929 -8.915 1.00 0.00 H new ATOM 0 HA LYS A 24 0.531 -10.119 -6.659 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.526 -12.016 -5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.776 -13.081 -5.944 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.429 -11.692 -4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.174 -10.548 -4.259 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.072 -12.430 -3.072 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.269 -13.500 -3.428 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.441 -10.908 -1.793 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.500 -12.531 -1.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.718 -12.041 -1.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.470 -12.788 -2.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.529 -11.095 -2.713 1.00 0.00 H new ATOM 375 N ASN A 25 2.547 -10.464 -8.477 1.00 0.00 N ATOM 376 CA ASN A 25 3.929 -10.415 -9.052 1.00 0.00 C ATOM 377 C ASN A 25 4.064 -9.249 -10.057 1.00 0.00 C ATOM 378 O ASN A 25 4.373 -9.427 -11.220 1.00 0.00 O ATOM 379 CB ASN A 25 4.215 -11.795 -9.735 1.00 0.00 C ATOM 380 CG ASN A 25 5.508 -12.382 -9.158 1.00 0.00 C ATOM 381 OD1 ASN A 25 6.591 -12.141 -9.654 1.00 0.00 O ATOM 382 ND2 ASN A 25 5.437 -13.156 -8.110 1.00 0.00 N ATOM 0 H ASN A 25 1.859 -9.898 -8.974 1.00 0.00 H new ATOM 0 HA ASN A 25 4.661 -10.236 -8.264 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.383 -12.478 -9.565 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.308 -11.669 -10.814 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.287 -13.555 -7.712 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.531 -13.362 -7.689 1.00 0.00 H new ATOM 389 N ASP A 26 3.820 -8.070 -9.547 1.00 0.00 N ATOM 390 CA ASP A 26 3.903 -6.817 -10.364 1.00 0.00 C ATOM 391 C ASP A 26 4.119 -5.690 -9.351 1.00 0.00 C ATOM 392 O ASP A 26 3.194 -5.345 -8.648 1.00 0.00 O ATOM 393 CB ASP A 26 2.570 -6.649 -11.147 1.00 0.00 C ATOM 394 CG ASP A 26 2.324 -5.173 -11.523 1.00 0.00 C ATOM 395 OD1 ASP A 26 3.153 -4.643 -12.244 1.00 0.00 O ATOM 396 OD2 ASP A 26 1.318 -4.658 -11.063 1.00 0.00 O ATOM 0 H ASP A 26 3.560 -7.917 -8.573 1.00 0.00 H new ATOM 0 HA ASP A 26 4.708 -6.825 -11.098 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.597 -7.257 -12.051 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.741 -7.015 -10.541 1.00 0.00 H new ATOM 401 N ARG A 27 5.313 -5.151 -9.313 1.00 0.00 N ATOM 402 CA ARG A 27 5.652 -4.057 -8.367 1.00 0.00 C ATOM 403 C ARG A 27 5.419 -2.699 -9.018 1.00 0.00 C ATOM 404 O ARG A 27 6.140 -2.230 -9.875 1.00 0.00 O ATOM 405 CB ARG A 27 7.142 -4.263 -7.922 1.00 0.00 C ATOM 406 CG ARG A 27 7.760 -3.039 -7.156 1.00 0.00 C ATOM 407 CD ARG A 27 8.951 -2.388 -7.909 1.00 0.00 C ATOM 408 NE ARG A 27 8.457 -1.568 -9.055 1.00 0.00 N ATOM 409 CZ ARG A 27 8.100 -0.314 -8.907 1.00 0.00 C ATOM 410 NH1 ARG A 27 8.165 0.269 -7.739 1.00 0.00 N ATOM 411 NH2 ARG A 27 7.678 0.327 -9.960 1.00 0.00 N ATOM 0 H ARG A 27 6.084 -5.436 -9.918 1.00 0.00 H new ATOM 0 HA ARG A 27 5.010 -4.083 -7.486 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.200 -5.144 -7.283 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.748 -4.469 -8.804 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.985 -2.289 -6.996 1.00 0.00 H new ATOM 0 HG3 ARG A 27 8.095 -3.366 -6.172 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.523 -1.761 -7.225 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.627 -3.162 -8.272 1.00 0.00 H new ATOM 0 HE ARG A 27 8.395 -1.995 -9.979 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.497 -0.252 -6.927 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.884 1.244 -7.640 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.633 -0.147 -10.862 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.392 1.303 -9.882 1.00 0.00 H new ATOM 425 N ILE A 28 4.343 -2.147 -8.549 1.00 0.00 N ATOM 426 CA ILE A 28 3.822 -0.825 -8.947 1.00 0.00 C ATOM 427 C ILE A 28 4.550 0.188 -8.021 1.00 0.00 C ATOM 428 O ILE A 28 5.459 -0.179 -7.299 1.00 0.00 O ATOM 429 CB ILE A 28 2.293 -0.838 -8.717 1.00 0.00 C ATOM 430 CG1 ILE A 28 1.666 -2.209 -9.158 1.00 0.00 C ATOM 431 CG2 ILE A 28 1.640 0.234 -9.594 1.00 0.00 C ATOM 432 CD1 ILE A 28 0.251 -2.375 -8.577 1.00 0.00 C ATOM 0 H ILE A 28 3.761 -2.604 -7.847 1.00 0.00 H new ATOM 0 HA ILE A 28 3.994 -0.565 -9.992 1.00 0.00 H new ATOM 0 HB ILE A 28 2.120 -0.664 -7.655 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.626 -2.262 -10.246 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.301 -3.029 -8.822 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.562 0.228 -9.434 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.040 1.213 -9.330 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.853 0.026 -10.643 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.163 -3.332 -8.896 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.299 -2.345 -7.488 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.386 -1.566 -8.935 1.00 0.00 H new ATOM 444 N CYS A 29 4.142 1.430 -8.056 1.00 0.00 N ATOM 445 CA CYS A 29 4.766 2.491 -7.210 1.00 0.00 C ATOM 446 C CYS A 29 3.638 3.498 -6.921 1.00 0.00 C ATOM 447 O CYS A 29 3.378 4.396 -7.699 1.00 0.00 O ATOM 448 CB CYS A 29 5.893 3.078 -8.036 1.00 0.00 C ATOM 449 SG CYS A 29 7.137 4.176 -7.314 1.00 0.00 S ATOM 0 H CYS A 29 3.383 1.761 -8.651 1.00 0.00 H new ATOM 0 HA CYS A 29 5.184 2.151 -6.262 1.00 0.00 H new ATOM 0 HB2 CYS A 29 6.431 2.238 -8.475 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.430 3.625 -8.857 1.00 0.00 H new ATOM 454 N THR A 30 3.001 3.304 -5.795 1.00 0.00 N ATOM 455 CA THR A 30 1.870 4.187 -5.364 1.00 0.00 C ATOM 456 C THR A 30 1.812 4.219 -3.823 1.00 0.00 C ATOM 457 O THR A 30 2.717 3.724 -3.180 1.00 0.00 O ATOM 458 CB THR A 30 0.579 3.595 -6.013 1.00 0.00 C ATOM 459 OG1 THR A 30 -0.518 4.395 -5.594 1.00 0.00 O ATOM 460 CG2 THR A 30 0.281 2.179 -5.485 1.00 0.00 C ATOM 0 H THR A 30 3.221 2.554 -5.140 1.00 0.00 H new ATOM 0 HA THR A 30 1.989 5.221 -5.687 1.00 0.00 H new ATOM 0 HB THR A 30 0.721 3.572 -7.093 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.345 4.048 -5.988 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.624 1.797 -5.958 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.118 1.520 -5.718 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.138 2.216 -4.405 1.00 0.00 H new ATOM 468 N ASN A 31 0.763 4.794 -3.281 1.00 0.00 N ATOM 469 CA ASN A 31 0.601 4.886 -1.793 1.00 0.00 C ATOM 470 C ASN A 31 -0.591 4.063 -1.287 1.00 0.00 C ATOM 471 O ASN A 31 -1.438 3.647 -2.054 1.00 0.00 O ATOM 472 CB ASN A 31 0.370 6.351 -1.380 1.00 0.00 C ATOM 473 CG ASN A 31 1.413 7.278 -1.983 1.00 0.00 C ATOM 474 OD1 ASN A 31 2.595 7.000 -2.006 1.00 0.00 O ATOM 475 ND2 ASN A 31 0.993 8.404 -2.481 1.00 0.00 N ATOM 0 H ASN A 31 0.000 5.210 -3.816 1.00 0.00 H new ATOM 0 HA ASN A 31 1.516 4.491 -1.352 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.624 6.666 -1.698 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.397 6.431 -0.293 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.658 9.059 -2.894 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.001 8.632 -2.459 1.00 0.00 H new ATOM 482 N CYS A 32 -0.602 3.863 0.010 1.00 0.00 N ATOM 483 CA CYS A 32 -1.701 3.086 0.664 1.00 0.00 C ATOM 484 C CYS A 32 -3.027 3.837 0.491 1.00 0.00 C ATOM 485 O CYS A 32 -3.993 3.302 -0.019 1.00 0.00 O ATOM 486 CB CYS A 32 -1.419 2.923 2.172 1.00 0.00 C ATOM 487 SG CYS A 32 -2.856 2.409 3.145 1.00 0.00 S ATOM 0 H CYS A 32 0.113 4.210 0.650 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.758 2.102 0.198 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.624 2.189 2.304 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.048 3.870 2.565 1.00 0.00 H new ATOM 492 N CYS A 33 -3.004 5.070 0.932 1.00 0.00 N ATOM 493 CA CYS A 33 -4.202 5.961 0.851 1.00 0.00 C ATOM 494 C CYS A 33 -4.651 6.081 -0.613 1.00 0.00 C ATOM 495 O CYS A 33 -5.820 5.941 -0.921 1.00 0.00 O ATOM 496 CB CYS A 33 -3.811 7.331 1.416 1.00 0.00 C ATOM 497 SG CYS A 33 -5.085 8.593 1.670 1.00 0.00 S ATOM 0 H CYS A 33 -2.185 5.506 1.355 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.032 5.552 1.427 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.325 7.161 2.377 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.060 7.756 0.750 1.00 0.00 H new ATOM 502 N ALA A 34 -3.685 6.335 -1.464 1.00 0.00 N ATOM 503 CA ALA A 34 -3.947 6.485 -2.931 1.00 0.00 C ATOM 504 C ALA A 34 -4.675 5.261 -3.504 1.00 0.00 C ATOM 505 O ALA A 34 -5.462 5.394 -4.422 1.00 0.00 O ATOM 506 CB ALA A 34 -2.606 6.677 -3.654 1.00 0.00 C ATOM 0 H ALA A 34 -2.707 6.447 -1.198 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.591 7.351 -3.083 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.782 6.788 -4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.112 7.571 -3.273 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.971 5.809 -3.479 1.00 0.00 H new ATOM 512 N GLY A 35 -4.388 4.109 -2.941 1.00 0.00 N ATOM 513 CA GLY A 35 -5.020 2.838 -3.392 1.00 0.00 C ATOM 514 C GLY A 35 -6.548 2.943 -3.413 1.00 0.00 C ATOM 515 O GLY A 35 -7.096 3.791 -2.739 1.00 0.00 O ATOM 0 H GLY A 35 -3.727 4.001 -2.172 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.659 2.585 -4.389 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.720 2.027 -2.729 1.00 0.00 H new ATOM 519 N THR A 36 -7.197 2.093 -4.174 1.00 0.00 N ATOM 520 CA THR A 36 -8.694 2.151 -4.238 1.00 0.00 C ATOM 521 C THR A 36 -9.319 1.393 -3.057 1.00 0.00 C ATOM 522 O THR A 36 -8.639 0.754 -2.284 1.00 0.00 O ATOM 523 CB THR A 36 -9.214 1.514 -5.539 1.00 0.00 C ATOM 524 OG1 THR A 36 -8.215 1.727 -6.527 1.00 0.00 O ATOM 525 CG2 THR A 36 -10.423 2.292 -6.102 1.00 0.00 C ATOM 0 H THR A 36 -6.762 1.370 -4.747 1.00 0.00 H new ATOM 0 HA THR A 36 -8.976 3.203 -4.200 1.00 0.00 H new ATOM 0 HB THR A 36 -9.465 0.474 -5.330 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.506 1.334 -7.376 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.766 1.816 -7.021 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.230 2.290 -5.369 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.128 3.320 -6.314 1.00 0.00 H new ATOM 533 N LYS A 37 -10.616 1.480 -2.965 1.00 0.00 N ATOM 534 CA LYS A 37 -11.358 0.795 -1.860 1.00 0.00 C ATOM 535 C LYS A 37 -11.418 -0.725 -2.062 1.00 0.00 C ATOM 536 O LYS A 37 -11.539 -1.203 -3.174 1.00 0.00 O ATOM 537 CB LYS A 37 -12.811 1.362 -1.768 1.00 0.00 C ATOM 538 CG LYS A 37 -12.896 2.828 -2.284 1.00 0.00 C ATOM 539 CD LYS A 37 -14.321 3.405 -2.087 1.00 0.00 C ATOM 540 CE LYS A 37 -15.363 2.636 -2.930 1.00 0.00 C ATOM 541 NZ LYS A 37 -14.997 2.683 -4.374 1.00 0.00 N ATOM 0 H LYS A 37 -11.204 2.002 -3.614 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.817 0.989 -0.934 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.484 0.733 -2.350 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.152 1.321 -0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.173 3.447 -1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.629 2.861 -3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.594 3.353 -1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.330 4.458 -2.367 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.418 1.600 -2.595 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.352 3.071 -2.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.819 2.410 -4.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.703 3.648 -4.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.213 2.024 -4.555 1.00 0.00 H new ATOM 555 N GLY A 38 -11.324 -1.431 -0.962 1.00 0.00 N ATOM 556 CA GLY A 38 -11.367 -2.927 -0.987 1.00 0.00 C ATOM 557 C GLY A 38 -10.050 -3.563 -1.455 1.00 0.00 C ATOM 558 O GLY A 38 -9.934 -4.774 -1.473 1.00 0.00 O ATOM 0 H GLY A 38 -11.217 -1.027 -0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.605 -3.294 0.011 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.173 -3.250 -1.646 1.00 0.00 H new ATOM 562 N CYS A 39 -9.098 -2.740 -1.819 1.00 0.00 N ATOM 563 CA CYS A 39 -7.778 -3.249 -2.293 1.00 0.00 C ATOM 564 C CYS A 39 -6.949 -3.919 -1.188 1.00 0.00 C ATOM 565 O CYS A 39 -7.324 -3.946 -0.034 1.00 0.00 O ATOM 566 CB CYS A 39 -6.998 -2.077 -2.877 1.00 0.00 C ATOM 567 SG CYS A 39 -7.735 -1.112 -4.219 1.00 0.00 S ATOM 0 H CYS A 39 -9.183 -1.724 -1.807 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.969 -4.019 -3.041 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.777 -1.389 -2.060 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.044 -2.463 -3.235 1.00 0.00 H new ATOM 572 N LYS A 40 -5.832 -4.454 -1.602 1.00 0.00 N ATOM 573 CA LYS A 40 -4.895 -5.145 -0.668 1.00 0.00 C ATOM 574 C LYS A 40 -3.491 -4.787 -1.152 1.00 0.00 C ATOM 575 O LYS A 40 -2.975 -5.415 -2.056 1.00 0.00 O ATOM 576 CB LYS A 40 -5.121 -6.674 -0.731 1.00 0.00 C ATOM 577 CG LYS A 40 -6.553 -7.022 -0.255 1.00 0.00 C ATOM 578 CD LYS A 40 -6.781 -8.555 -0.270 1.00 0.00 C ATOM 579 CE LYS A 40 -5.884 -9.259 0.771 1.00 0.00 C ATOM 580 NZ LYS A 40 -6.168 -10.721 0.769 1.00 0.00 N ATOM 0 H LYS A 40 -5.522 -4.441 -2.574 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.048 -4.839 0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.972 -7.029 -1.751 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.388 -7.184 -0.106 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.710 -6.636 0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.284 -6.535 -0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.828 -8.772 -0.059 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.568 -8.948 -1.264 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.834 -9.082 0.540 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.066 -8.844 1.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.563 -11.193 1.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.167 -10.881 1.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.973 -11.111 -0.175 1.00 0.00 H new ATOM 594 N TYR A 41 -2.922 -3.780 -0.535 1.00 0.00 N ATOM 595 CA TYR A 41 -1.558 -3.308 -0.892 1.00 0.00 C ATOM 596 C TYR A 41 -0.493 -3.956 0.002 1.00 0.00 C ATOM 597 O TYR A 41 -0.491 -3.774 1.203 1.00 0.00 O ATOM 598 CB TYR A 41 -1.560 -1.765 -0.754 1.00 0.00 C ATOM 599 CG TYR A 41 -2.184 -1.083 -2.000 1.00 0.00 C ATOM 600 CD1 TYR A 41 -3.225 -1.650 -2.719 1.00 0.00 C ATOM 601 CD2 TYR A 41 -1.681 0.131 -2.432 1.00 0.00 C ATOM 602 CE1 TYR A 41 -3.741 -1.025 -3.833 1.00 0.00 C ATOM 603 CE2 TYR A 41 -2.202 0.754 -3.547 1.00 0.00 C ATOM 604 CZ TYR A 41 -3.234 0.179 -4.256 1.00 0.00 C ATOM 605 OH TYR A 41 -3.751 0.788 -5.380 1.00 0.00 O ATOM 0 H TYR A 41 -3.363 -3.255 0.221 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.307 -3.595 -1.913 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.119 -1.479 0.137 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.539 -1.410 -0.617 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.638 -2.596 -2.401 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.871 0.596 -1.890 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -4.551 -1.486 -4.378 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.797 1.702 -3.868 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.696 0.548 -5.477 1.00 0.00 H new ATOM 615 N PHE A 42 0.376 -4.704 -0.630 1.00 0.00 N ATOM 616 CA PHE A 42 1.484 -5.416 0.063 1.00 0.00 C ATOM 617 C PHE A 42 2.871 -5.049 -0.453 1.00 0.00 C ATOM 618 O PHE A 42 3.041 -4.563 -1.557 1.00 0.00 O ATOM 619 CB PHE A 42 1.322 -6.937 -0.103 1.00 0.00 C ATOM 620 CG PHE A 42 0.179 -7.325 -1.045 1.00 0.00 C ATOM 621 CD1 PHE A 42 0.255 -7.113 -2.409 1.00 0.00 C ATOM 622 CD2 PHE A 42 -0.946 -7.914 -0.508 1.00 0.00 C ATOM 623 CE1 PHE A 42 -0.795 -7.494 -3.218 1.00 0.00 C ATOM 624 CE2 PHE A 42 -1.991 -8.293 -1.315 1.00 0.00 C ATOM 625 CZ PHE A 42 -1.916 -8.085 -2.670 1.00 0.00 C ATOM 0 H PHE A 42 0.358 -4.853 -1.639 1.00 0.00 H new ATOM 0 HA PHE A 42 1.415 -5.108 1.106 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.254 -7.355 -0.482 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.146 -7.386 0.875 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.132 -6.652 -2.839 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.006 -8.079 0.558 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.740 -7.329 -4.284 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.869 -8.753 -0.885 1.00 0.00 H new ATOM 0 HZ PHE A 42 -2.735 -8.384 -3.308 1.00 0.00 H new ATOM 635 N SER A 43 3.802 -5.324 0.427 1.00 0.00 N ATOM 636 CA SER A 43 5.246 -5.093 0.216 1.00 0.00 C ATOM 637 C SER A 43 5.790 -6.086 -0.819 1.00 0.00 C ATOM 638 O SER A 43 5.073 -6.916 -1.347 1.00 0.00 O ATOM 639 CB SER A 43 5.941 -5.295 1.540 1.00 0.00 C ATOM 640 OG SER A 43 5.318 -4.413 2.458 1.00 0.00 O ATOM 0 H SER A 43 3.591 -5.726 1.340 1.00 0.00 H new ATOM 0 HA SER A 43 5.421 -4.083 -0.156 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.850 -6.329 1.872 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.006 -5.079 1.456 1.00 0.00 H new ATOM 0 HG SER A 43 5.512 -3.486 2.204 1.00 0.00 H new ATOM 646 N ASP A 44 7.067 -5.951 -1.061 1.00 0.00 N ATOM 647 CA ASP A 44 7.773 -6.830 -2.044 1.00 0.00 C ATOM 648 C ASP A 44 8.292 -8.106 -1.380 1.00 0.00 C ATOM 649 O ASP A 44 8.351 -9.146 -2.007 1.00 0.00 O ATOM 650 CB ASP A 44 8.950 -6.043 -2.661 1.00 0.00 C ATOM 651 CG ASP A 44 8.980 -6.303 -4.177 1.00 0.00 C ATOM 652 OD1 ASP A 44 9.570 -7.308 -4.541 1.00 0.00 O ATOM 653 OD2 ASP A 44 8.412 -5.489 -4.886 1.00 0.00 O ATOM 0 H ASP A 44 7.663 -5.256 -0.611 1.00 0.00 H new ATOM 0 HA ASP A 44 7.067 -7.125 -2.820 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.836 -4.977 -2.463 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.891 -6.353 -2.206 1.00 0.00 H new ATOM 658 N ASP A 45 8.653 -7.980 -0.128 1.00 0.00 N ATOM 659 CA ASP A 45 9.178 -9.150 0.641 1.00 0.00 C ATOM 660 C ASP A 45 8.052 -10.148 0.978 1.00 0.00 C ATOM 661 O ASP A 45 8.302 -11.180 1.569 1.00 0.00 O ATOM 662 CB ASP A 45 9.833 -8.626 1.934 1.00 0.00 C ATOM 663 CG ASP A 45 8.778 -7.919 2.803 1.00 0.00 C ATOM 664 OD1 ASP A 45 8.556 -6.744 2.555 1.00 0.00 O ATOM 665 OD2 ASP A 45 8.251 -8.599 3.667 1.00 0.00 O ATOM 0 H ASP A 45 8.606 -7.108 0.399 1.00 0.00 H new ATOM 0 HA ASP A 45 9.911 -9.681 0.034 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.279 -9.452 2.487 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.639 -7.934 1.690 1.00 0.00 H new ATOM 670 N GLY A 46 6.848 -9.802 0.592 1.00 0.00 N ATOM 671 CA GLY A 46 5.670 -10.659 0.844 1.00 0.00 C ATOM 672 C GLY A 46 5.125 -10.405 2.247 1.00 0.00 C ATOM 673 O GLY A 46 5.151 -11.279 3.092 1.00 0.00 O ATOM 0 H GLY A 46 6.638 -8.934 0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.897 -10.455 0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.945 -11.708 0.737 1.00 0.00 H new ATOM 677 N THR A 47 4.648 -9.200 2.437 1.00 0.00 N ATOM 678 CA THR A 47 4.076 -8.766 3.729 1.00 0.00 C ATOM 679 C THR A 47 3.063 -7.638 3.500 1.00 0.00 C ATOM 680 O THR A 47 3.411 -6.552 3.078 1.00 0.00 O ATOM 681 CB THR A 47 5.218 -8.283 4.636 1.00 0.00 C ATOM 682 OG1 THR A 47 5.971 -9.447 4.945 1.00 0.00 O ATOM 683 CG2 THR A 47 4.715 -7.777 6.003 1.00 0.00 C ATOM 0 H THR A 47 4.636 -8.479 1.715 1.00 0.00 H new ATOM 0 HA THR A 47 3.559 -9.599 4.206 1.00 0.00 H new ATOM 0 HB THR A 47 5.754 -7.483 4.126 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.871 -9.364 4.566 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.563 -7.448 6.604 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.031 -6.942 5.853 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.195 -8.583 6.520 1.00 0.00 H new ATOM 691 N PHE A 48 1.830 -7.957 3.799 1.00 0.00 N ATOM 692 CA PHE A 48 0.693 -6.999 3.649 1.00 0.00 C ATOM 693 C PHE A 48 0.962 -5.684 4.391 1.00 0.00 C ATOM 694 O PHE A 48 1.362 -5.694 5.540 1.00 0.00 O ATOM 695 CB PHE A 48 -0.566 -7.703 4.191 1.00 0.00 C ATOM 696 CG PHE A 48 -1.807 -6.798 4.119 1.00 0.00 C ATOM 697 CD1 PHE A 48 -2.122 -5.976 5.186 1.00 0.00 C ATOM 698 CD2 PHE A 48 -2.629 -6.797 3.005 1.00 0.00 C ATOM 699 CE1 PHE A 48 -3.235 -5.168 5.144 1.00 0.00 C ATOM 700 CE2 PHE A 48 -3.746 -5.988 2.964 1.00 0.00 C ATOM 701 CZ PHE A 48 -4.048 -5.172 4.033 1.00 0.00 C ATOM 0 H PHE A 48 1.556 -8.874 4.153 1.00 0.00 H new ATOM 0 HA PHE A 48 0.560 -6.730 2.601 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.747 -8.613 3.619 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.396 -8.004 5.225 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.488 -5.968 6.060 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.395 -7.433 2.164 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.471 -4.530 5.983 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.385 -5.994 2.093 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.921 -4.537 3.999 1.00 0.00 H new ATOM 711 N VAL A 49 0.728 -4.597 3.697 1.00 0.00 N ATOM 712 CA VAL A 49 0.944 -3.244 4.299 1.00 0.00 C ATOM 713 C VAL A 49 -0.413 -2.650 4.690 1.00 0.00 C ATOM 714 O VAL A 49 -0.591 -2.285 5.838 1.00 0.00 O ATOM 715 CB VAL A 49 1.638 -2.308 3.273 1.00 0.00 C ATOM 716 CG1 VAL A 49 1.902 -0.922 3.913 1.00 0.00 C ATOM 717 CG2 VAL A 49 2.978 -2.918 2.851 1.00 0.00 C ATOM 0 H VAL A 49 0.394 -4.589 2.733 1.00 0.00 H new ATOM 0 HA VAL A 49 1.579 -3.338 5.180 1.00 0.00 H new ATOM 0 HB VAL A 49 0.988 -2.192 2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.389 -0.272 3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.956 -0.477 4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.547 -1.040 4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.466 -2.261 2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.617 -3.034 3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.806 -3.893 2.395 1.00 0.00 H new ATOM 727 N CYS A 50 -1.333 -2.560 3.759 1.00 0.00 N ATOM 728 CA CYS A 50 -2.667 -1.985 4.103 1.00 0.00 C ATOM 729 C CYS A 50 -3.617 -2.345 2.970 1.00 0.00 C ATOM 730 O CYS A 50 -3.268 -3.067 2.060 1.00 0.00 O ATOM 731 CB CYS A 50 -2.597 -0.447 4.200 1.00 0.00 C ATOM 732 SG CYS A 50 -3.077 0.452 2.701 1.00 0.00 S ATOM 0 H CYS A 50 -1.219 -2.856 2.790 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.998 -2.380 5.063 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.239 -0.122 5.019 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.578 -0.163 4.462 1.00 0.00 H new ATOM 737 N GLU A 51 -4.800 -1.815 3.096 1.00 0.00 N ATOM 738 CA GLU A 51 -5.881 -2.020 2.095 1.00 0.00 C ATOM 739 C GLU A 51 -6.144 -0.606 1.567 1.00 0.00 C ATOM 740 O GLU A 51 -6.268 0.319 2.348 1.00 0.00 O ATOM 741 CB GLU A 51 -7.137 -2.611 2.798 1.00 0.00 C ATOM 742 CG GLU A 51 -8.444 -2.221 2.042 1.00 0.00 C ATOM 743 CD GLU A 51 -9.567 -3.211 2.388 1.00 0.00 C ATOM 744 OE1 GLU A 51 -10.260 -2.940 3.355 1.00 0.00 O ATOM 745 OE2 GLU A 51 -9.666 -4.185 1.660 1.00 0.00 O ATOM 0 H GLU A 51 -5.071 -1.225 3.883 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.623 -2.716 1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.052 -3.697 2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.186 -2.249 3.825 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.743 -1.209 2.315 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.266 -2.222 0.967 1.00 0.00 H new ATOM 752 N GLY A 52 -6.216 -0.480 0.266 1.00 0.00 N ATOM 753 CA GLY A 52 -6.470 0.860 -0.355 1.00 0.00 C ATOM 754 C GLY A 52 -7.746 1.541 0.193 1.00 0.00 C ATOM 755 O GLY A 52 -8.476 0.966 0.977 1.00 0.00 O ATOM 0 H GLY A 52 -6.110 -1.248 -0.396 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.612 1.508 -0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.561 0.744 -1.435 1.00 0.00 H new ATOM 759 N GLU A 53 -7.981 2.752 -0.249 1.00 0.00 N ATOM 760 CA GLU A 53 -9.176 3.528 0.209 1.00 0.00 C ATOM 761 C GLU A 53 -9.482 4.684 -0.762 1.00 0.00 C ATOM 762 O GLU A 53 -9.576 5.828 -0.363 1.00 0.00 O ATOM 763 CB GLU A 53 -8.871 4.050 1.644 1.00 0.00 C ATOM 764 CG GLU A 53 -7.527 4.827 1.643 1.00 0.00 C ATOM 765 CD GLU A 53 -7.198 5.310 3.062 1.00 0.00 C ATOM 766 OE1 GLU A 53 -6.571 4.535 3.767 1.00 0.00 O ATOM 767 OE2 GLU A 53 -7.589 6.427 3.362 1.00 0.00 O ATOM 0 H GLU A 53 -7.387 3.243 -0.917 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.063 2.895 0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.677 4.700 1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.819 3.214 2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.727 4.185 1.274 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.591 5.679 0.966 1.00 0.00 H new ATOM 774 N SER A 54 -9.619 4.319 -2.013 1.00 0.00 N ATOM 775 CA SER A 54 -9.920 5.271 -3.140 1.00 0.00 C ATOM 776 C SER A 54 -8.639 6.023 -3.560 1.00 0.00 C ATOM 777 O SER A 54 -8.355 5.972 -4.745 1.00 0.00 O ATOM 778 CB SER A 54 -11.009 6.310 -2.717 1.00 0.00 C ATOM 779 OG SER A 54 -11.298 7.005 -3.922 1.00 0.00 O ATOM 0 H SER A 54 -9.530 3.349 -2.317 1.00 0.00 H new ATOM 0 HA SER A 54 -10.295 4.687 -3.980 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.896 5.820 -2.315 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.640 6.985 -1.944 1.00 0.00 H new ATOM 0 HG SER A 54 -11.982 7.686 -3.751 1.00 0.00 H new TER 785 SER A 54